REMARK  Name = BDB013378
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.047  -0.076   0.650  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1        0.696  -1.170   0.042  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        2.077  -1.155  -0.191  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        2.866  -0.056   0.165  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        4.323  -0.102  -0.103  0.00  0.00    -0.030 A 
ATOM      6  C   LIG    1        5.190   1.061   0.324  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1        6.693   0.773   0.268  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1        7.061   0.022  -1.003  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1        6.307  -1.305  -1.083  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1        4.851  -1.182  -0.719  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1        3.998  -2.350  -1.093  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1        4.465  -3.347  -1.637  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        2.224   1.041   0.748  0.00  0.00    +0.010 A 
ATOM     14  N   LIG    1        2.668  -2.264  -0.801  0.00  0.00    -0.322 N 
ATOM     15  H   LIG    1        2.114  -3.069  -1.057  0.00  0.00    +0.169 HD
ATOM     16  C   LIG    1        0.841   1.034   0.984  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1       -1.488  -0.099   0.871  0.00  0.00    +0.086 C 
ATOM     18  C   LIG    1       -1.942   0.938   1.928  0.00  0.00    +0.032 C 
BRANCH  17  19
ATOM     19  C   LIG    1       -1.915  -1.436   1.376  0.00  0.00    +0.074 C 
ATOM     20  N   LIG    1       -2.224  -2.484   1.771  0.00  0.00    -0.196 NA
ENDBRANCH  17  19
BRANCH  17  21
ATOM     21  C   LIG    1       -2.142   0.190  -0.505  0.00  0.00    +0.102 C 
BRANCH  21  24
ATOM     22  C   LIG    1       -5.683  -0.719  -0.444  0.00  0.00    +0.221 A 
ATOM     23  N   LIG    1       -4.346  -0.841  -0.511  0.00  0.00    -0.198 NA
ATOM     24  C   LIG    1       -3.642   0.298  -0.470  0.00  0.00    +0.138 A 
ATOM     25  N   LIG    1       -4.175   1.526  -0.369  0.00  0.00    -0.198 NA
ATOM     26  C   LIG    1       -5.519   1.584  -0.322  0.00  0.00    +0.221 A 
ATOM     27  C   LIG    1       -6.334   0.483  -0.355  0.00  0.00    +0.134 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -5.733  -3.061  -0.410  0.00  0.00    +0.279 C 
ATOM     29  O   LIG    1       -6.478  -1.847  -0.468  0.00  0.00    -0.479 OA
ENDBRANCH  22  29
BRANCH  26  30
ATOM     30  O   LIG    1       -6.152   2.808  -0.222  0.00  0.00    -0.479 OA
ATOM     31  C   LIG    1       -5.252   3.910  -0.214  0.00  0.00    +0.279 C 
ENDBRANCH  26  30
ENDBRANCH  21  24
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 6